1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine

C11H22FNO4S — CID 166304805

IUPAC1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine
SMILESCOCCOC1CCN(S(=O)(=O)CC[C@H](C)F)C1
InChIInChI=1S/C11H22FNO4S/c1-10(12)4-8-18(14,15)13-5-3-11(9-13)17-7-6-16-2/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyKCIIDFIGYUSCLZ-VUWPPUDQSA-N
MW283.36 g/mol
LogP0.80
Rot. Bonds8

About 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine

1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine (PubChem CID 166304805) has the molecular formula C11H22FNO4S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine.

Molecular Properties

Compound Name1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine
PubChem CID166304805
Molecular FormulaC11H22FNO4S
Molecular Weight283.36 g/mol
Exact Mass283.13
IUPAC Name1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine
SMILESCOCCOC1CCN(S(=O)(=O)CC[C@H](C)F)C1
InChIInChI=1S/C11H22FNO4S/c1-10(12)4-8-18(14,15)13-5-3-11(9-13)17-7-6-16-2/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyKCIIDFIGYUSCLZ-VUWPPUDQSA-N
XLogP0.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine?
The IUPAC name of 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine (CID 166304805) is 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine.
What is the SMILES notation for 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine?
The canonical SMILES for 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine is COCCOC1CCN(S(=O)(=O)CC[C@H](C)F)C1.
What is the InChIKey of 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine?
The InChIKey is KCIIDFIGYUSCLZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H22FNO4S/c1-10(12)4-8-18(14,15)13-5-3-11(9-13)17-7-6-16-2/h10-11H,3-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine?
1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine has a molecular weight of 283.36 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-fluorobutyl]sulfonyl-3-(2-methoxyethoxy)pyrrolidine is sourced from PubChem (CID 166304805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).